| SpectraBase Compound ID | BcTnM9esQH6 |
|---|---|
| InChI | InChI=1S/C8H8ClN/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3/b10-8+ |
| InChIKey | KFVKPSOJAAJVSR-CSKARUKUSA-N |
| Mol Weight | 153.61 g/mol |
| Molecular Formula | C8H8ClN |
| Exact Mass | 153.034527 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CxmeanWT9Ik |
|---|---|
| Name | N-Methylbenzimidoyl chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 153.034526962 u |
| Formula | C8H8ClN |
| InChI | InChI=1S/C8H8ClN/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3/b10-8+ |
| InChIKey | KFVKPSOJAAJVSR-CSKARUKUSA-N |
| Molecular Weight | 153.612 g/mol |
| SMILES | C\N=C/(Cl)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.827127 |